SCHEMBL28985289

SCHEMBL28985289

COc1cc(-c2cc(=O)c3c(O)cc(OC)c(OC)c3o2)cc(O)c1OC

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.75
PLK1 P53350 1/20 0.75
BACE1 P56817 1/20 0.75
ALDH1A1 P00352 1/20 0.67
CYP3A4 P08684 1/20 0.67
BCL2 P10415 1/20 0.65
GABRP O00591 1/20 0.63
GABRD O14764 1/20 0.63
KDM1A O60341 1/20 0.63
CCNT1 O60563 1/20 0.63
PKM P14618 1/20 0.63
GABRA1 P14867 1/20 0.63
GABRB1 P18505 1/20 0.63
GABRG2 P18507 1/20 0.63
CCNA2 P20248 1/20 0.63
CCNC P24863 1/20 0.63
CDK2 P24941 1/20 0.63
GABRB3 P28472 1/20 0.63
GABRA5 P31644 1/20 0.63
GABRA3 P34903 1/20 0.63

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30267770 1.00 ACHE (0.75) ACHEPLK1BACE1ALDH1A1CYP3A4
SCHEMBL29928538 0.87 ALDH1A1 (0.88) ALDH1A1CYP3A4KDM4EPOLBMAPT
SCHEMBL4057928 0.87 ACHE (0.76) ACHEPLK1BACE1ALDH1A1CYP3A4
SCHEMBL26110312 0.87 ALDH1A1 (0.75) ACHEPLK1BACE1ALDH1A1CYP3A4
SCHEMBL16894632 0.87 ACHE (0.76) ACHEPLK1BACE1ALDH1A1CYP3A4
SCHEMBL2137291 0.87 ALDH1A1 (0.88) ALDH1A1CYP3A4KDM4EPOLBMAPT
SCHEMBL6359647 0.86 ACHE (0.81) ACHEPLK1BACE1BCL2GABRP
Moslosooflavone SCHEMBL29822243 0.86 ACHE (1.00) ACHEPLK1BACE1ALDH1A1CYP3A4
Moslosooflavone SCHEMBL6070206 0.86 ACHE (1.00) ACHEPLK1BACE1ALDH1A1CYP3A4
SCHEMBL6365437 0.85 ACHE (0.80) ACHEPLK1BACE1ALDH1A1CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115980220-A Method for identifying aging years of dried orange peels 广东省科学院测试分析研究所(中国广州分析测试中心) 2023-04-18 CN claimed
CN-115980220-A Method for identifying aging years of dried orange peels 广东省科学院测试分析研究所(中国广州分析测试中心) 2023-04-18 CN disclosed
CN-115980220-A Method for identifying aging years of dried orange peels 广东省科学院测试分析研究所(中国广州分析测试中心) 2023-04-18 CN disclosed